CID 67840

Methyl 2,3,3,3-tetrafluoropropionate

Structural Information

Molecular Formula
C4H4F4O2
SMILES
COC(=O)C(C(F)(F)F)F
InChI
InChI=1S/C4H4F4O2/c1-10-3(9)2(5)4(6,7)8/h2H,1H3
InChIKey
YPGCUXBNTDXTKF-UHFFFAOYSA-N
Compound name
methyl 2,3,3,3-tetrafluoropropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

700
Patents

160.01474 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02202 123.8
[M+Na]+ 183.00396 132.4
[M-H]- 159.00746 119.4
[M+NH4]+ 178.04856 144.5
[M+K]+ 198.97790 132.7
[M+H-H2O]+ 143.01200 116.6
[M+HCOO]- 205.01294 141.2
[M+CH3COO]- 219.02859 176.1
[M+Na-2H]- 180.98941 127.9
[M]+ 160.01419 119.5
[M]- 160.01529 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe